SCHEMBL18323636

SCHEMBL18323636

CCCc1cc(C)cc2nnc(CC)n12

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
DNMT1 P26358 1/20 0.40
POLB P06746 1/20 0.39
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIA1 P42261 1/20 0.31
GRIA2 P42262 1/20 0.31
GRIA3 P42263 1/20 0.31
GRIA4 P48058 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31
GRIN3A Q8TCU5 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18323635 0.90 KDM4E (0.39) KDM4EDNMT1POLBNOS2
SCHEMBL15907081 0.78 KDM4E (0.39) KDM4EDNMT1NOS3NOS1NOS2
SCHEMBL18323575 0.77 PDE8A (0.36) POLB
SCHEMBL18323625 0.76 POLB (0.34) POLB
SCHEMBL18323645 0.76 POLB (0.57) KDM4EDNMT1POLB
SCHEMBL18323674 0.75 POLB (0.60) KDM4EDNMT1POLB
SCHEMBL18323637 0.73 KDM4E (0.41) KDM4EDNMT1POLB
SCHEMBL18323657 0.72 KDM4E (0.60) KDM4EDNMT1NOS3NOS2
SCHEMBL15907082 0.69 KDM4E (0.37) KDM4EDNMT1NOS2
SCHEMBL15907088 0.67 KDM4E (0.41) KDM4EDNMT1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9522910-B2 Protein kinase inhibitors (variants), use thereof in treating oncological diseases and a pharmaceutical composition based thereon Obshchestvo s ogranichennoy otvetstvennostyou “Fusion Pharma” (RU) 2016-12-20 US disclosed